N-(4-acetylphenyl)-3-amino-4-(4-methoxyphenyl)-6-phenylthieno[2,3-b]pyridine-2-carboxamide

C29H23N3O3S — CID 3165281

IUPACN-(4-acetylphenyl)-3-amino-4-(4-methoxyphenyl)-6-phenylthieno[2,3-b]pyridine-2-carboxamide
SMILESCOc1ccc(-c2cc(-c3ccccc3)nc3sc(C(=O)Nc4ccc(C(C)=O)cc4)c(N)c23)cc1
InChIInChI=1S/C29H23N3O3S/c1-17(33)18-8-12-21(13-9-18)31-28(34)27-26(30)25-23(19-10-14-22(35-2)15-11-19)16-24(32-29(25)36-27)20-6-4-3-5-7-20/h3-16H,30H2,1-2H3,(H,31,34)
InChIKeyHLPOEVMJKZQAIY-UHFFFAOYSA-N
MW493.59 g/mol
LogP6.68
Rot. Bonds6

About N-(4-acetylphenyl)-3-amino-4-(4-methoxyphenyl)-6-phenylthieno[2,3-b]pyridine-2-carboxamide

N-(4-acetylphenyl)-3-amino-4-(4-methoxyphenyl)-6-phenylthieno[2,3-b]pyridine-2-carboxamide (PubChem CID 3165281) has the molecular formula C29H23N3O3S and a molecular weight of 493.59 g/mol. Its IUPAC name is N-(4-acetylphenyl)-3-amino-4-(4-methoxyphenyl)-6-phenylthieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-3-amino-4-(4-methoxyphenyl)-6-phenylthieno[2,3-b]pyridine-2-carboxamide
PubChem CID3165281
Molecular FormulaC29H23N3O3S
Molecular Weight493.59 g/mol
Exact Mass493.15
IUPAC NameN-(4-acetylphenyl)-3-amino-4-(4-methoxyphenyl)-6-phenylthieno[2,3-b]pyridine-2-carboxamide
SMILESCOc1ccc(-c2cc(-c3ccccc3)nc3sc(C(=O)Nc4ccc(C(C)=O)cc4)c(N)c23)cc1
InChIInChI=1S/C29H23N3O3S/c1-17(33)18-8-12-21(13-9-18)31-28(34)27-26(30)25-23(19-10-14-22(35-2)15-11-19)16-24(32-29(25)36-27)20-6-4-3-5-7-20/h3-16H,30H2,1-2H3,(H,31,34)
InChIKeyHLPOEVMJKZQAIY-UHFFFAOYSA-N
XLogP6.68
TPSA94.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500493.59
LogP ≤ 56.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-amino-6-(4-methoxyphenyl)-N-phenyl-4-[4-(trifluoromethyl)phenyl]thieno[2,3-b]pyridine-2-carboxamide
CID 4086089
3-amino-4-(4-methoxyphenyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-6-phenylthieno[2,3-b]pyridine-2-carboxamide
CID 23886209
3-amino-N-benzyl-4-(4-methoxyphenyl)-6-phenylthieno[2,3-b]pyridine-2-carboxamide
CID 23830081
3-amino-N-(2,5-dichlorophenyl)-6-(4-methoxyphenyl)-4-phenylthieno[2,3-b]pyridine-2-carboxamide
CID 3129336
3-amino-4-(4-methoxyphenyl)-N-(5-methyl-2-pyridinyl)-6-phenylthieno[2,3-b]pyridine-2-carboxamide
CID 23830129
ethyl 3-amino-4-(4-methoxyphenyl)-6-phenylthieno[2,3-b]pyridine-2-carboxylate
CID 1040515
3-amino-4-(4-methoxyphenyl)-N-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]-6-phenylthieno[2,3-b]pyridine-2-carboxamide
CID 23743028
(4-methylphenyl) 3-amino-4-(4-methoxyphenyl)-6-phenylthieno[2,3-b]pyridine-2-carboxylate
CID 132557187
3-amino-N-(2,4-dimethoxyphenyl)-6-(4-ethoxyphenyl)-4-phenylthieno[2,3-b]pyridine-2-carboxamide
CID 3133270
3-amino-N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-4-(4-methoxyphenyl)-6-phenylthieno[2,3-b]pyridine-2-carboxamide
CID 23998031
3-amino-4-(3,4-dihydroxyphenyl)-6-(3,4-dimethoxyphenyl)-N-(4-methoxyphenyl)thieno[2,3-b]pyridine-2-carboxamide
CID 177381506
3-amino-4,6-bis(4-methoxyphenyl)thieno[2,3-b]pyridine-2-carboxamide
CID 984123

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-3-amino-4-(4-methoxyphenyl)-6-phenylthieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of N-(4-acetylphenyl)-3-amino-4-(4-methoxyphenyl)-6-phenylthieno[2,3-b]pyridine-2-carboxamide (CID 3165281) is N-(4-acetylphenyl)-3-amino-4-(4-methoxyphenyl)-6-phenylthieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for N-(4-acetylphenyl)-3-amino-4-(4-methoxyphenyl)-6-phenylthieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for N-(4-acetylphenyl)-3-amino-4-(4-methoxyphenyl)-6-phenylthieno[2,3-b]pyridine-2-carboxamide is COc1ccc(-c2cc(-c3ccccc3)nc3sc(C(=O)Nc4ccc(C(C)=O)cc4)c(N)c23)cc1.
What is the InChIKey of N-(4-acetylphenyl)-3-amino-4-(4-methoxyphenyl)-6-phenylthieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is HLPOEVMJKZQAIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H23N3O3S/c1-17(33)18-8-12-21(13-9-18)31-28(34)27-26(30)25-23(19-10-14-22(35-2)15-11-19)16-24(32-29(25)36-27)20-6-4-3-5-7-20/h3-16H,30H2,1-2H3,(H,31,34).
What are the key properties of N-(4-acetylphenyl)-3-amino-4-(4-methoxyphenyl)-6-phenylthieno[2,3-b]pyridine-2-carboxamide?
N-(4-acetylphenyl)-3-amino-4-(4-methoxyphenyl)-6-phenylthieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 493.59 g/mol, XLogP of 6.68, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-3-amino-4-(4-methoxyphenyl)-6-phenylthieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 3165281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).